Collaborative Research: Modulating Single-Atom Catalytic Centers in Well-Defined Metal Oxide Nanocrystal Surfaces for Oxygen Evolution Reaction

合作研究:调节明确金属氧化物纳米晶体表面的单原子催化中心以进行析氧反应

基本信息

  • 批准号:
    2004808
  • 负责人:
  • 金额:
    $ 34.89万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2020
  • 资助国家:
    美国
  • 起止时间:
    2020-07-01 至 2024-06-30
  • 项目状态:
    已结题

项目摘要

The development of renewable alternatives to fossil fuel-based energy is one of the most critical scientific challenges of the United States. Electrocatalysis is a cornerstone to bridging renewable electrical energy resources (solar, hydro, and wind power, etc.) with chemical transformations central to energy storage and conversion. The project will develop an emerging class of electrocatalytic materials to maximize the efficiency of hydrogen fuel production from water. The outcome of this project makes a major contribution to hydrogen fuel technology development and supports the nation’s efforts to diversify energy supply and reduce the dependence on non-renewable energy sources. The knowledge generated from this project will advance general understanding and research in catalysis and other technologies, including batteries and sensors. The research is supplemented by a range of educational and outreach activities primarily for K-12 and undergraduate students from underrepresented groups to increase their interest in careers as scientists and engineers.This project represents a cross-disciplinary and cross-institute effort to develop well-defined single atom catalysts for the oxygen evolution reaction (OER) - the key barrier reaction for water electrolyzer and renewable hydrogen production. The project integrates the co-investigators' respective expertise in experimental and computational catalysis to address three questions paramount to OER catalysis: how to identify or construct well-defined catalytic centers for OER; how to delineate unambiguously the atomistic mechanism for OER at this center; and how to leverage the mechanistic understanding and the synthetic technique to fine-tune catalytic centers for optimal kinetics. The primary strategy is to computationally design and precisely synthesize single-atom catalytic centers (e.g. cobalt) in the surface of well-defined and chemically stable metal oxide nanocrystals, thereby optimizing the OER performance through mechanistic understanding and synthetic modulation. Three specific tasks are included: (1) synthesizing cobalt single-atom catalytic centers with diverse and controllable metal oxide phase, composition, and surface facets; (2) understanding dependence of the reaction mechanism and kinetics on composition and atomic structure through a combination of computational and experimental approaches; and (3) using this understanding to conduct in silico scanning of reasonable compositions, combined with Machine Learning based on the validated computational model, followed by experimental synthesis of the predicted best candidates to identify the optimal single-atom and metal oxide compositions. Educational outreach involves the participation of undergraduate and K-12 students in summer research internships in the investigators’ laboratories as well as visits by the investigators and graduate students to the minority-serving partner institutions to deliver short courses based on their research.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
开发化石燃料能源的可再生替代品是美国最关键的科学挑战之一。电催化是桥接可再生电能资源(太阳能、水力和风力等)的基石。其中化学转化是能量储存和转换的核心。该项目将开发一种新兴的电催化材料,以最大限度地提高水制氢燃料的效率。该项目的成果为氢燃料技术的发展做出了重大贡献,并支持了国家实现能源供应多样化和减少对不可再生能源依赖的努力。该项目产生的知识将促进对催化和其他技术的普遍理解和研究,包括电池和传感器。该研究还辅以一系列教育和推广活动,主要针对K-12和来自代表性不足群体的本科生,以提高他们对科学家和工程师职业的兴趣。该项目代表了跨学科和跨机构的努力,旨在开发用于析氧反应(OER)的定义明确的单原子催化剂-水电解槽和可再生氢气生产的关键屏障反应。该项目整合了共同研究者在实验和计算催化方面的各自专业知识,以解决OER催化的三个最重要的问题:如何识别或构建OER的明确定义的催化中心;如何明确地描绘OER在该中心的原子机制;以及如何利用机械理解和合成技术来微调催化中心以实现最佳动力学。 主要的策略是计算设计和精确合成在明确定义和化学稳定的金属氧化物纳米晶体的表面中的单原子催化中心(例如钴),从而通过机械理解和合成调节来优化OER性能。具体工作包括三个方面:(1)合成具有不同和可控的金属氧化物相、组成和表面晶面的钴单原子催化中心;(2)通过计算和实验相结合的方法理解反应机理和动力学对组成和原子结构的依赖性;以及(3)使用这种理解来进行合理成分的计算机扫描,结合基于经验证的计算模型的机器学习,随后进行预测的最佳候选物的实验合成,以确定最佳的单原子和金属氧化物组成。教育推广包括本科生和K-12学生参加在研究人员实验室的夏季研究实习,以及研究人员和研究生访问少数民族。为合作机构提供基于其研究的短期课程。该奖项反映了NSF的法定使命,并通过使用基金会的知识价值和更广泛的影响进行评估,被认为值得支持审查标准。

项目成果

期刊论文数量(7)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Surfactant Removal for Colloidal Nanocrystal Catalysts Mediated by N-Heterocyclic Carbenes
Nanocluster superstructures assembled via surface ligand switching at high temperature
  • DOI:
    10.1038/s44160-023-00304-8
  • 发表时间:
    2023-05
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Grayson Johnson;M. Yang;Chang Liu;Hua Zhou;X. Zuo;D. Dickie;Sihan Wang;Wenpei Gao;Bukuru Anaclet-B
  • 通讯作者:
    Grayson Johnson;M. Yang;Chang Liu;Hua Zhou;X. Zuo;D. Dickie;Sihan Wang;Wenpei Gao;Bukuru Anaclet-B
Oxygen evolution reaction over catalytic single-site Co in a well-defined brookite TiO2 nanorod surface
  • DOI:
    10.1038/s41929-020-00550-5
  • 发表时间:
    2020-12-14
  • 期刊:
  • 影响因子:
    37.8
  • 作者:
    Liu, Chang;Qian, Jin;Zhang, Sen
  • 通讯作者:
    Zhang, Sen
Synthesis of core/shell nanocrystals with ordered intermetallic single-atom alloy layers for nitrate electroreduction to ammonia
  • DOI:
    10.1038/s44160-023-00258-x
  • 发表时间:
    2023-07-01
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Gao, Qiang;Yao, Bingqing;Zhu, Huiyuan
  • 通讯作者:
    Zhu, Huiyuan
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Sen Zhang其他文献

Prediction of burden descent speed in blast furnace based on extreme learning machine
基于极限学习机的高炉炉料下降速度预测
  • DOI:
  • 发表时间:
    2018-01
  • 期刊:
  • 影响因子:
    1
  • 作者:
    Xin Guan;Yixin Yin;Sen Zhang;Haigang Zhang
  • 通讯作者:
    Haigang Zhang
Narrow linewidth tunable V-cavity laser using self-injection method
采用自注入法的窄线宽可调谐V腔激光器
  • DOI:
    10.1364/oe.25.032957
  • 发表时间:
    2017-12
  • 期刊:
  • 影响因子:
    3.8
  • 作者:
    Xiaohai Xiong;Zhipeng Hu;Sen Zhang;Xiaolu Liao;Jian-jun He
  • 通讯作者:
    Jian-jun He
Development of a compact torus injection system for the Keda Torus eXperiment
为 Keda Torus 实验开发紧凑型环面注射系统
  • DOI:
    10.1088/2058-6272/ac4e75
  • 发表时间:
    2022
  • 期刊:
  • 影响因子:
    1.7
  • 作者:
    Chen Chen;Tao Lan;Chijin Xiao;Ge Zhuang;Defeng Kong;Shoubiao Zhang;Sen Zhang;Weixing Ding;Zhengwei Wu;Wenzhe Mao;Jie Wu;Hangqi Xu;Jiaren Wu;Yiming Zu;Dong Zhang;Zian Wei;Xiaohui Wen;Chu Zhou;Ahdi Liu;Jinlin Xie;Hong Li;W;ong Liu
  • 通讯作者:
    ong Liu
Silicon-on-Insulator Lateral DMOS With Potential Modulation Plates and Multiple Deep-Oxide Trenches
具有电位调制板和多个深氧化沟槽的绝缘体上硅横向 DMOS
  • DOI:
    10.1109/ted.2021.3105943
  • 发表时间:
    2021-10
  • 期刊:
  • 影响因子:
    3.1
  • 作者:
    Jie Ma;Long Zhang;Jing Zhu;Wangming Cui;Yongjiu Cui;Xinyu Liu;Weifeng Sun;Yan Gu;Nailong He;Sen Zhang;Mingfei Huang
  • 通讯作者:
    Mingfei Huang
Initial offset boosting coexisting attractors in memristive multi-double-scroll Hopfield neural network
忆阻多双滚动 Hopfield 神经网络中的初始偏移增强共存吸引子
  • DOI:
    10.1007/s11071-020-06072-w
  • 发表时间:
    2020-11
  • 期刊:
  • 影响因子:
    5.6
  • 作者:
    Sen Zhang;Jiahao Zheng;Xiaoping Wang;Zhigang Zeng;Shaobo He
  • 通讯作者:
    Shaobo He

Sen Zhang的其他文献

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{{ truncateString('Sen Zhang', 18)}}的其他基金

CAREER: Modular Multi-Interface Nanocrystals for Electrocatalytic Oxidation of Biorenewable Alcohols
职业:用于生物可再生醇电催化氧化的模块化多界面纳米晶体
  • 批准号:
    2145220
  • 财政年份:
    2022
  • 资助金额:
    $ 34.89万
  • 项目类别:
    Continuing Grant
One-Dimensional Functional Nanocrystals with Non-Precious-Metal Cores and Precious-Metal Shells
具有非贵金属核和贵金属壳的一维功能纳米晶体
  • 批准号:
    1809700
  • 财政年份:
    2018
  • 资助金额:
    $ 34.89万
  • 项目类别:
    Standard Grant

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Cell Research (细胞研究)
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